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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50192449'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50192449
PNG
(CHEMBL3950540 | US10239870, Example 283)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H26F3N5S/c1-33-23(20-5-3-18(16-30)4-6-20)31-32-24(33)35-14-2-12-34-13-11-25(17-34)15-22(25)19-7-9-21(10-8-19)26(27,28)29/h3-10,22H,2,11-15,17H2,1H3/t22-,25+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
0.263n/an/an/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50192449
PNG
(CHEMBL3950540 | US10239870, Example 283)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H26F3N5S/c1-33-23(20-5-3-18(16-30)4-6-20)31-32-24(33)35-14-2-12-34-13-11-25(17-34)15-22(25)19-7-9-21(10-8-19)26(27,28)29/h3-10,22H,2,11-15,17H2,1H3/t22-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.263n/an/an/an/an/an/an/an/a



Aptuit s.r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair